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Showing metabocard for Bis(m-methanethiolato)tetranitrosyldiiron (HMDB0035290)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 20:14:48 UTC
Update Date2022-03-07 02:54:27 UTC
HMDB IDHMDB0035290
Secondary Accession Numbers
  • HMDB35290
Metabolite Identification
Common NameBis(m-methanethiolato)tetranitrosyldiiron
DescriptionBis(m-methanethiolato)tetranitrosyldiiron belongs to the class of organic compounds known as metalloheterocyclic compounds. These are heterocyclic compounds contain one metal ring atom. Based on a literature review very few articles have been published on Bis(m-methanethiolato)tetranitrosyldiiron.
Structure
Data?1563862695
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0035290 (Bis(m-methanethiolato)tetranitrosyldiiron)


  Mrv0541 02241214462D          

 14 15  0  0  0  0            999 V2000
    1.3709   -1.3364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0276   -0.7879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5482    0.1026    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    0.0681    0.6511    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0681    1.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3024   -1.4054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0282   -0.7879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5482    0.1026    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    0.0003   -0.6511    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0003   -1.4738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0276    0.9937    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3709    1.4738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0282    0.9937    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3709    1.4738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
M  END
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3D MOL for HMDB0035290 (Bis(m-methanethiolato)tetranitrosyldiiron)

HMDB0035290
     RDKit          3D
Bis(m-methanethiolato)tetranitrosyldiiron
 20 21  0  0  0  0  0  0  0  0999 V2000
   -2.7411    0.3272    0.6386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5907    0.1046   -0.6971 S   0  0  0  0  0  3  0  0  0  0  0  0
    0.2422    0.8343   -0.3401 Fe  0  0  0  0  0  5  0  0  0  0  0  0
    0.3346    1.4695   -2.4046 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4567    1.8449   -2.4993 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1727    2.4521    0.2106 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1384    2.8979    1.3049 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4629    0.0901   -0.0223 S   0  0  0  0  0  3  0  0  0  0  0  0
    2.7495   -0.3602    1.0892 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0191   -0.6376   -0.3069 Fe  0  0  0  0  0  5  0  0  0  0  0  0
   -0.2500   -2.1498    0.5060 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2262   -2.8301    0.2950 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3756   -1.4956   -2.2290 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5719   -2.1407   -2.4542 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1873    0.4734    1.5881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3753    1.2222    0.5067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3562   -0.5997    0.7851 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2877   -0.4846    2.1067 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0951   -1.3808    0.8076 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5864    0.3630    1.1151 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  3  6  1  0
  6  7  2  0
  3  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 10 13  1  0
 13 14  2  0
 10  2  1  0
 10  3  1  0
  1 15  1  0
  1 16  1  0
  1 17  1  0
  9 18  1  0
  9 19  1  0
  9 20  1  0
M  RAD  2   2   2   8   2
M  END
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3D SDF for HMDB0035290 (Bis(m-methanethiolato)tetranitrosyldiiron)


  Mrv0541 02241214462D          

 14 15  0  0  0  0            999 V2000
    1.3709   -1.3364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0276   -0.7879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5482    0.1026    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    0.0681    0.6511    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0681    1.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3024   -1.4054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0282   -0.7879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5482    0.1026    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    0.0003   -0.6511    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0003   -1.4738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0276    0.9937    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3709    1.4738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0282    0.9937    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3709    1.4738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0035290

> <DATABASE_NAME>
hmdb

> <SMILES>
C[S]1[Fe]2(N=O)(N=O)[S](C)[Fe]12(N=O)N=O

> <INCHI_IDENTIFIER>
InChI=1S/2CH3S.2Fe.4NO/c2*1-2;;;4*1-2/h2*1H3;;;;;;/q;;2*+2;4*-1

> <INCHI_KEY>
KFULJHPUIROTDJ-UHFFFAOYSA-N

> <FORMULA>
C2H6Fe2N4O4S2

> <MOLECULAR_WEIGHT>
325.913

> <EXACT_MASS>
325.852930346

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
22.618127789489257

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <ALOGPS_LOGP>
1.53

> <ALOGPS_LOGS>
-2.90

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
117.72

> <JCHEM_REFRACTIVITY>
48.031400000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.12e-01 g/l

> <JCHEM_VEBER_RULE>
0

$$$$
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3D-SDF for HMDB0035290 (Bis(m-methanethiolato)tetranitrosyldiiron)

HMDB0035290
     RDKit          3D
Bis(m-methanethiolato)tetranitrosyldiiron
 20 21  0  0  0  0  0  0  0  0999 V2000
   -2.7411    0.3272    0.6386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5907    0.1046   -0.6971 S   0  0  0  0  0  3  0  0  0  0  0  0
    0.2422    0.8343   -0.3401 Fe  0  0  0  0  0  5  0  0  0  0  0  0
    0.3346    1.4695   -2.4046 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4567    1.8449   -2.4993 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1727    2.4521    0.2106 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1384    2.8979    1.3049 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4629    0.0901   -0.0223 S   0  0  0  0  0  3  0  0  0  0  0  0
    2.7495   -0.3602    1.0892 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0191   -0.6376   -0.3069 Fe  0  0  0  0  0  5  0  0  0  0  0  0
   -0.2500   -2.1498    0.5060 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2262   -2.8301    0.2950 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3756   -1.4956   -2.2290 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5719   -2.1407   -2.4542 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1873    0.4734    1.5881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3753    1.2222    0.5067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3562   -0.5997    0.7851 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2877   -0.4846    2.1067 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0951   -1.3808    0.8076 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5864    0.3630    1.1151 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  3  6  1  0
  6  7  2  0
  3  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 10 13  1  0
 13 14  2  0
 10  2  1  0
 10  3  1  0
  1 15  1  0
  1 16  1  0
  1 17  1  0
  9 18  1  0
  9 19  1  0
  9 20  1  0
M  RAD  2   2   2   8   2
M  END
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PDB for HMDB0035290 (Bis(m-methanethiolato)tetranitrosyldiiron)

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  O   UNK     0       2.559  -2.495   0.000  0.00  0.00           O+0
HETATM    2  N   UNK     0       1.918  -1.471   0.000  0.00  0.00           N+0
HETATM    3 Fe   UNK     0       1.023   0.192   0.000  0.00  0.00          Fe+0
HETATM    4  S   UNK     0       0.127   1.215   0.000  0.00  0.00           S+0
HETATM    5  C   UNK     0       0.127   2.495   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -2.431  -2.623   0.000  0.00  0.00           O+0
HETATM    7  N   UNK     0      -1.919  -1.471   0.000  0.00  0.00           N+0
HETATM    8 Fe   UNK     0      -1.023   0.192   0.000  0.00  0.00          Fe+0
HETATM    9  S   UNK     0       0.001  -1.215   0.000  0.00  0.00           S+0
HETATM   10  C   UNK     0       0.001  -2.751   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0       1.918   1.855   0.000  0.00  0.00           N+0
HETATM   12  O   UNK     0       2.559   2.751   0.000  0.00  0.00           O+0
HETATM   13  N   UNK     0      -1.919   1.855   0.000  0.00  0.00           N+0
HETATM   14  O   UNK     0      -2.559   2.751   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    8    9                                             
CONECT    3   11                                        
CONECT    4    3    5    8                                                  
CONECT    5    4                                                            
CONECT    6    7                                                            
CONECT    7    6    8                                                       
CONECT    8    3    4    7    9                                             
CONECT    8   13                                        
CONECT    9    3    8   10                                                  
CONECT   10    9                                                            
CONECT   11    3   12                                                       
CONECT   12   11                                                            
CONECT   13    8   14                                                       
CONECT   14   13                                                            
MASTER        0    0    0    0    0    0    0    0   14    0   30    0
END
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3D PDB for HMDB0035290 (Bis(m-methanethiolato)tetranitrosyldiiron)

COMPND    HMDB0035290
HETATM    1  C1  UNL     1      -2.741   0.327   0.639  1.00  0.00           C  
HETATM    2  S1  UNL     1      -1.591   0.105  -0.697  1.00  0.00           S  
HETATM    3 FE1  UNL     1       0.242   0.834  -0.340  1.00  0.00          FE  
HETATM    4  N1  UNL     1       0.335   1.469  -2.405  1.00  0.00           N  
HETATM    5  O1  UNL     1       1.457   1.845  -2.499  1.00  0.00           O  
HETATM    6  N2  UNL     1      -0.173   2.452   0.211  1.00  0.00           N  
HETATM    7  O2  UNL     1      -0.138   2.898   1.305  1.00  0.00           O  
HETATM    8  S2  UNL     1       1.463   0.090  -0.022  1.00  0.00           S  
HETATM    9  C2  UNL     1       2.749  -0.360   1.089  1.00  0.00           C  
HETATM   10 FE2  UNL     1       0.019  -0.638  -0.307  1.00  0.00          FE  
HETATM   11  N3  UNL     1      -0.250  -2.150   0.506  1.00  0.00           N  
HETATM   12  O3  UNL     1      -1.226  -2.830   0.295  1.00  0.00           O  
HETATM   13  N4  UNL     1       0.376  -1.496  -2.229  1.00  0.00           N  
HETATM   14  O4  UNL     1      -0.572  -2.141  -2.454  1.00  0.00           O  
HETATM   15  H1  UNL     1      -2.187   0.473   1.588  1.00  0.00           H  
HETATM   16  H2  UNL     1      -3.375   1.222   0.507  1.00  0.00           H  
HETATM   17  H3  UNL     1      -3.356  -0.600   0.785  1.00  0.00           H  
HETATM   18  H4  UNL     1       2.288  -0.485   2.107  1.00  0.00           H  
HETATM   19  H5  UNL     1       3.095  -1.381   0.808  1.00  0.00           H  
HETATM   20  H6  UNL     1       3.586   0.363   1.115  1.00  0.00           H  
CONECT    1    2   15   16   17
CONECT    2    3   10
CONECT    3    4    6    8   10
CONECT    4    5    5
CONECT    6    7    7
CONECT    8    9   10
CONECT    9   18   19   20
CONECT   10   11   13
CONECT   11   12   12
CONECT   13   14   14
END
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SMILES for HMDB0035290 (Bis(m-methanethiolato)tetranitrosyldiiron)

C[S]1[Fe]2(N=O)(N=O)[S](C)[Fe]12(N=O)N=O
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INCHI for HMDB0035290 (Bis(m-methanethiolato)tetranitrosyldiiron)

InChI=1S/2CH3S.2Fe.4NO/c2*1-2;;;4*1-2/h2*1H3;;;;;;/q;;2*+2;4*-1
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View in JSmolView Stereo Labels
Synonyms
ValueSource
Bis(m-(methanethiolato))tetranitrosodiironHMDB
Bis(m-methylthio)tetranitrosyldiironHMDB
Bis(methanethiolato)tetranitrosyldi-ironHMDB
Bis(mu-(methanethiolato))tetranitrosyldi-ironHMDB
Roussin red methyl esterHMDB
Roussin'S redHMDB
Roussin'S red methyl esterHMDB
Chemical FormulaC2H6Fe2N4O4S2
Average Molecular Weight325.913
Monoisotopic Molecular Weight325.852930346
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry Number16071-96-8
SMILES
C[S]1[Fe]2(N=O)(N=O)[S](C)[Fe]12(N=O)N=O
InChI Identifier
InChI=1S/2CH3S.2Fe.4NO/c2*1-2;;;4*1-2/h2*1H3;;;;;;/q;;2*+2;4*-1
InChI KeyKFULJHPUIROTDJ-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as metalloheterocyclic compounds. These are heterocyclic compounds contain one metal ring atom.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassMetalloheterocyclic compounds
Sub ClassNot Available
Direct ParentMetalloheterocyclic compounds
Alternative Parents
Substituents
  • Organic metal salt
  • Organic transition metal salt
  • Metalloheterocycle
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organic salt
  • Organosulfur compound
  • Aliphatic heteropolycyclic compound
Molecular FrameworkAliphatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
ProcessNot Available
Role
Biological role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point92 - 93 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.41 g/LALOGPS
logP1.53ALOGPS
logS-2.9ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area117.72 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity48.03 m³·mol⁻¹ChemAxon
Polarizability22.62 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
AllCCS[M+H]+163.532859911
AllCCS[M+H-H2O]+160.432859911
AllCCS[M+NH4]+166.532859911
AllCCS[M+Na]+167.332859911
AllCCS[M-H]-131.732859911
AllCCS[M+Na-2H]-132.132859911
AllCCS[M+HCOO]-132.732859911

Predicted Kovats Retention Indices

Not Available
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Bis(m-methanethiolato)tetranitrosyldiiron GC-MS (Non-derivatized) - 70eV, Positivesplash10-002b-9062000000-746d79f1eaa451d131962017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Bis(m-methanethiolato)tetranitrosyldiiron GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Bis(m-methanethiolato)tetranitrosyldiiron 10V, Positive-QTOFsplash10-004i-0009000000-60af9a7269b3d522eecf2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Bis(m-methanethiolato)tetranitrosyldiiron 20V, Positive-QTOFsplash10-004i-0009000000-60af9a7269b3d522eecf2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Bis(m-methanethiolato)tetranitrosyldiiron 40V, Positive-QTOFsplash10-004i-0009000000-60af9a7269b3d522eecf2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Bis(m-methanethiolato)tetranitrosyldiiron 10V, Negative-QTOFsplash10-00di-0009000000-1137406be7f1e405bef82016-08-04Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Bis(m-methanethiolato)tetranitrosyldiiron 20V, Negative-QTOFsplash10-00di-0009000000-1137406be7f1e405bef82016-08-04Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Bis(m-methanethiolato)tetranitrosyldiiron 40V, Negative-QTOFsplash10-00di-0009000000-1137406be7f1e405bef82016-08-04Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Bis(m-methanethiolato)tetranitrosyldiiron 10V, Negative-QTOFsplash10-00di-0009000000-176aa994bc092c0138512021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Bis(m-methanethiolato)tetranitrosyldiiron 20V, Negative-QTOFsplash10-00di-0009000000-dcaaf27e5fda98be034e2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Bis(m-methanethiolato)tetranitrosyldiiron 40V, Negative-QTOFsplash10-00di-0039000000-7b2dc4e8df2ab4b530d82021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Bis(m-methanethiolato)tetranitrosyldiiron 10V, Positive-QTOFsplash10-004i-0009000000-40e876e0fd9e6b3fdbc42021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Bis(m-methanethiolato)tetranitrosyldiiron 20V, Positive-QTOFsplash10-004i-0009000000-ce9787738bd4405c6b212021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Bis(m-methanethiolato)tetranitrosyldiiron 40V, Positive-QTOFsplash10-03di-0092000000-fa4f4af92c15cac8a8982021-09-24Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB013955
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .